ChemSpider 2D Image | 6,7-Difluoro-1,2,3,4-tetrahydroisoquinoline | C9H9F2N

6,7-Difluoro-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC9H9F2N
  • Average mass169.171 Da
  • Monoisotopic mass169.070313 Da
  • ChemSpider ID25523924

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6,7-Difluor-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
6,7-Difluoro-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
6,7-Difluoro-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
787640-44-2 [RN]
Isoquinoline, 6,7-difluoro-1,2,3,4-tetrahydro- [ACD/Index Name]
6,7-DIFLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
DS-11756
MFCD13179156 [MDL number]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 224.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 46.1±3.0 kJ/mol
    Flash Point: 89.7±27.3 °C
    Index of Refraction: 1.505
    Molar Refractivity: 41.8±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.42
    ACD/LogD (pH 5.5): -0.67
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 1.02
    ACD/BCF (pH 7.4): 2.15
    ACD/KOC (pH 7.4): 33.68
    Polar Surface Area: 12 Å2
    Polarizability: 16.6±0.5 10-24cm3
    Surface Tension: 34.3±3.0 dyne/cm
    Molar Volume: 140.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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